SCHEMBL7475129

SCHEMBL7475129

NC(=O)C(Br)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
ALDH1A1 P00352 4/20 0.47
CES1 P23141 1/20 0.47
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
PLAU P00749 1/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 1/20 0.45
GSK3B P49841 1/20 0.44
NOS1 P29475 1/20 0.44
MAPK1 P28482 1/20 0.44
NPC1 O15118 1/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28376459 0.85 ALDH1A1 (0.50) TSHRGAAALDH1A1CES1MEN1
SCHEMBL9297237 0.83 TDP1 (0.52) TSHRLMNAALDH1A1CES1MEN1
SCHEMBL2225077 0.83 TDP1 (0.52) TSHRLMNAALDH1A1CES1MEN1
SCHEMBL27175927 0.82 CES2 (0.48) CES1MEN1KMT2A
SCHEMBL9298105 0.81 ALDH1A1 (0.53) TSHRLMNAALDH1A1CES1MEN1
SCHEMBL9298100 0.81 ALDH1A1 (0.53) TSHRLMNAALDH1A1CES1MEN1
SCHEMBL6407218 0.81 MAPT (0.54) TSHRGAAALDH1A1CES1MEN1
SCHEMBL5201018 0.79 MEN1 (0.60) TSHRLMNAGAAALDH1A1CES1
SCHEMBL11770993 0.78 TSHR (0.53) TSHRLMNAGAAALDH1A1CES1
SCHEMBL350056 0.78 TSHR (0.53) TSHRLMNAGAAALDH1A1CES1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077701-A4 ANTI-VIRAL COMPOUNDS LILLY CO ELI (US) 2002-03-20 EP disclosed
US-6358971-B1 FOR INHIBITING THE GROWTH OF A PICORNAVIRUS ELI LILLY AND COMPANY 2002-03-19 US disclosed
EP-1077701-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 2001-02-28 EP disclosed
WO-1999059587-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 1999-11-25 WO disclosed
EP-0369627-B1 Pyrimidinedione derivative compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS (JP) 1994-12-21 EP disclosed
US-5008267-A Pyrimidinedione compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-04-16 US disclosed
EP-0369627-A2 Pyrimidinedione derivative compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-05-23 EP disclosed